3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one

C28H33Cl2N5O3 — CID 25017549

IUPAC3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N1CCC(N3CCCCC3=O)CC1)CC2
InChIInChI=1S/C28H33Cl2N5O3/c1-17-21(15-31)26(20-6-5-18(29)14-22(20)30)27-23(32-17)9-13-34(28(27)38)16-25(37)33-11-7-19(8-12-33)35-10-3-2-4-24(35)36/h5-6,14,19H,2-4,7-13,15-16,31H2,1H3
InChIKeyCMVFRFJWHPDMIQ-UHFFFAOYSA-N
MW558.51 g/mol
LogP3.82
Rot. Bonds5

About 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one

3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 25017549) has the molecular formula C28H33Cl2N5O3 and a molecular weight of 558.51 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID25017549
Molecular FormulaC28H33Cl2N5O3
Molecular Weight558.51 g/mol
Exact Mass557.20
IUPAC Name3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N1CCC(N3CCCCC3=O)CC1)CC2
InChIInChI=1S/C28H33Cl2N5O3/c1-17-21(15-31)26(20-6-5-18(29)14-22(20)30)27-23(32-17)9-13-34(28(27)38)16-25(37)33-11-7-19(8-12-33)35-10-3-2-4-24(35)36/h5-6,14,19H,2-4,7-13,15-16,31H2,1H3
InChIKeyCMVFRFJWHPDMIQ-UHFFFAOYSA-N
XLogP3.82
TPSA99.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 25017549) is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one is Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N1CCC(N3CCCCC3=O)CC1)CC2.
What is the InChIKey of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is CMVFRFJWHPDMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33Cl2N5O3/c1-17-21(15-31)26(20-6-5-18(29)14-22(20)30)27-23(32-17)9-13-34(28(27)38)16-25(37)33-11-7-19(8-12-33)35-10-3-2-4-24(35)36/h5-6,14,19H,2-4,7-13,15-16,31H2,1H3.
What are the key properties of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 558.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 25017549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).